![CAS 87876-97-9 Sodium 5-chlorobenzo[d]oxazole-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87876-97-9.gif)
CAS RN: 87876-97-9
Sodium 5-chlorobenzo[d]oxazole-2-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250120 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251017 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251024 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250804 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS87876-97-9
- Purity/Analytical Methods: >99.0%
87876-97-9 / sodium 5-chloro-1,3-benzoxazole-2-carboxylate
Basic Information
CAS
87876-97-9
Multi CAS
No
Molecular Formula
C8H3CLNNAO3
Molecular Weight
219.560000
Exact Mass
218.969915
InChI
InChI=1S/C8H4ClNO3.Na/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12;/h1-3H,(H,11,12);/q;+1/p-1
InChIKey
IYKIFIZFBZNZPX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.35
TPSA
66.16
LogP / Solubility
WLOGP
-2.15
MLOGP
-1.89
XLogP3
-2.15
Consensus LogP
-2.06
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.58
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 87884-14-8 methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87884-14-8.gif)
